4-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperazine-1-carboxamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperazine-1-carboxamide Openeye Name: N-(3-phenylpropyl)-4-(p-tolylsulfonyl)piperazine-1-carboxamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)-1-piperazinecarboxamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-(3-phenylpropyl)piperazine-1-carboxamide Traditional Name: N-(3-phenylpropyl)-4-tosyl-piperazine-1-carboxamide Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3S/c1-18-9-11-20(12-10-18)28(26,27)24-16-14-23(15-17-24)21(25)22-13-5-8-19-6-3-2-4-7-19/h2-4,6-7,9-12H,5,8,13-17H2,1H3,(H,22,25)